N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide

C11H13F2NO — CID 123262796

IUPACN-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide
SMILESCCc1ccc(CNC(C)=O)c(F)c1F
InChIInChI=1S/C11H13F2NO/c1-3-8-4-5-9(6-14-7(2)15)11(13)10(8)12/h4-5H,3,6H2,1-2H3,(H,14,15)
InChIKeyDAZIMRTZFUFAED-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.16
Rot. Bonds3

About N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide

N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide (PubChem CID 123262796) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide
PubChem CID123262796
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC NameN-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide
SMILESCCc1ccc(CNC(C)=O)c(F)c1F
InChIInChI=1S/C11H13F2NO/c1-3-8-4-5-9(6-14-7(2)15)11(13)10(8)12/h4-5H,3,6H2,1-2H3,(H,14,15)
InChIKeyDAZIMRTZFUFAED-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide
CID 118212780
ethane;N-[(2-ethylphenyl)methyl]acetamide
CID 142489172
N-[(2,3,5-trifluoro-4-hydroxyphenyl)methyl]acetamide
CID 142776330
N-[(2,3,4-trifluorophenyl)methyl]propanamide
CID 110477463
N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]acetamide
CID 145222330
N-[(2,3,4-trihydroxyphenyl)methyl]acetamide
CID 160759755
5-[2-[4-(acetamidomethyl)-2,3-difluorophenyl]ethyl]pyridine-3-carboxylic acid
CID 174819806
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
N-[(2-fluoro-3-pyridinyl)methyl]acetamide
CID 130400765
ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide
CID 171522941
N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide
CID 89189876
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide?
The IUPAC name of N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide (CID 123262796) is N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide.
What is the SMILES notation for N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide?
The canonical SMILES for N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide is CCc1ccc(CNC(C)=O)c(F)c1F.
What is the InChIKey of N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide?
The InChIKey is DAZIMRTZFUFAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-3-8-4-5-9(6-14-7(2)15)11(13)10(8)12/h4-5H,3,6H2,1-2H3,(H,14,15).
What are the key properties of N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide?
N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide has a molecular weight of 213.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide is sourced from PubChem (CID 123262796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).